Engineering and Physical Sciences

Chemistry

  • ChemSynthesis: a freely accessible database of chemicals. This website contains substances with their synthesis references and physical properties such as melting point, boiling point and density. There are currently more than 40,000 compounds and more than 45,000 synthesis references in the database.
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Laboratory notebook tutorial

LabArchives

Chemistry: Chemical con artists foil drug discovery by Jonathan Baell & Michael A. Walters

An Aggregation Advisor for Ligand Discovery by John J. Irwin et. al.

Aggregator Advisor : Aggregator Advisor identifies molecules that are known-to aggregate or may aggregate in biochemical assays. The approach is based on the chemical similarity to known aggregators, and physical properties.

Learning from our mistakes: The ‘unknown knowns’ in fragment screening by Ben J. Davis and Daniel A. Erlanson

Check Your Chemistry by Monya Baker

Chemical Probe Databases

  • http://www.chemicalprobes.org/ - The Chemical Probes Portal is designed to change the way scientists find and use small-molecule reagents called chemical probes in biomedical research and drug discovery. The Portal is backed by reviews and commentary from recognized chemical probe experts. Our knowledge-dissemination model, focused on providing accessible expert advice, promises to increase research reproducibility, maximize investment outcomes and accelerate the discovery science that informs the next generation of therapeutics.
  • https://probeminer.icr.ac.uk/#/ - Objective Assessment of Chemical Probes is a community resource for the evaluation of chemical probes based on large-scale, publicly available, medicinal chemistry data. It is intended to empower researchers to select the best probes based on objective, data driven criteria. This resource provides evaluation of > 1.8m small molecules against for >2,200 human targets and is regularly updated in response to updates in the publicly available medicinal chemistry data. Our continuing data curation efforts will ensure that this resource is continually evolving and improving. 
  • https://www.probes-drugs.org/home/ - The Probes & Drugs portal is a public resource joining together focused libraries of bioactive compounds (probes, drugs, specific inhibitor sets etc.)with commercially available screening libraries. The purpose of the portal is to reflect the current state of bioactive compound space and to enable its exploration from different points of view.